[(2R)-3-[[(1S)-1-[[(2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-15-[2-(4-hydroxy-3-methyl-phenyl)ethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2,8-disec-butyl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]carbamoyl]-3-(4-hydroxyphenyl)propyl]amino]-2-methoxy-3-oxo-propyl] hydrogen sulfate

More details:

• Systematic name

  [(2R)-3-[[(1S)-1-[[(2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-15-[2-(4-hydroxy-3-methyl-phenyl)ethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2,8-disec-butyl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]carbamoyl]-3-(4-hydroxyphenyl)propyl]amino]-2-methoxy-3-oxo-propyl] hydrogen sulfate

• SMILES

  O=S(=O)(O)OC[C@@H](OC)C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]3C(=O)N([C@H](C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)O[C@@H]1C)[C@@H](C)CC)Cc2ccc(OC)cc2)[C@@H](C)CC)[C@H](O)CC3)CCc4ccc(O)c(c4)C)CCc5ccc(O)cc5

• Std. InChi

  InChI=1S/C57H79N7O18S/c1-10-31(3)47-57(75)82-34(6)48(62-51(69)41(23-16-35-12-19-38(65)20-13-35)58-53(71)45(80-9)30-81-83(76,77)78)54(72)59-40(24-17-36-18-26-44(66)33(5)28-36)50(68)60-42-25-27-46(67)64(55(42)73)49(32(4)11-2)56(74)63(7)43(52(70)61-47)29-37-14-21-39(79-8)22-15-37/h12-15,18-22,26,28,31-32,34,40-43,45-49,65-67H,10-11,16-17,23-25,27,29-30H2,1-9H3,(H,58,71)(H,59,72)(H,60,68)(H,61,70)(H,62,69)(H,76,77,78)/t31-,32-,34+,40-,41-,42-,43-,45+,46+,47-,48-,49-/m0/s1

• Std. InChIKey

  NLQWQLCUSBPPRU-CLQLWTEMSA-N

• Cite this record

  CSID:9019225, http://www.chemspider.com/Chemical-Structure.9019225.html (accessed 03:11, Jun 17, 2024)